⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL124244 | 0.98 | — | — | |
| Water SCHEMBL11545902 | 0.97 | — | — | |
| Nitrilotriacetic Acid SCHEMBL7616551 | 0.93 | TDP1 (0.32) | — | |
| Edetic Acid SCHEMBL3865960 | 0.91 | TDP1 (0.42) | — | |
| Pentetic Acid SCHEMBL8656975 | 0.89 | TDP1 (0.44) | — | |
| SCHEMBL9771357 | 0.89 | TDP1 (0.37) | — | |
| SCHEMBL3311113 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL3891872 | 0.83 | — | — | |
| SCHEMBL233605 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL635696 | 0.79 | FFAR4 (0.40) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1940228-B1 | BAIT COMPOSITIONS COMPRISING AT LEAST ONE SPINOSYN AND ONE MOLLUSCICIDE | NEUDORFF W GMBH KG (DE) | 2015-07-29 | — | — | EP | claimed |
| EP-0725562-B1 | INGESTABLE MOLLUSC POISONS | NEUDORFF W GMBH KG (DE) | 1998-08-26 | — | — | EP | claimed |